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Thallium in PDB 4cza: Structure of the Sodium Proton Antiporter Panhap From Pyrococcus Abyssii with Bound Thallium Ion.

Protein crystallography data

The structure of Structure of the Sodium Proton Antiporter Panhap From Pyrococcus Abyssii with Bound Thallium Ion., PDB code: 4cza was solved by D.Woehlert, W.Kuhlbrandt, O.Yildiz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.599 / 3.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.056, 107.402, 99.796, 90.00, 96.37, 90.00
R / Rfree (%) 24.82 / 29.75

Thallium Binding Sites:

The binding sites of Thallium atom in the Structure of the Sodium Proton Antiporter Panhap From Pyrococcus Abyssii with Bound Thallium Ion. (pdb code 4cza). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 2 binding sites of Thallium where determined in the Structure of the Sodium Proton Antiporter Panhap From Pyrococcus Abyssii with Bound Thallium Ion., PDB code: 4cza:
Jump to Thallium binding site number: 1; 2;

Thallium binding site 1 out of 2 in 4cza

Go back to Thallium Binding Sites List in 4cza
Thallium binding site 1 out of 2 in the Structure of the Sodium Proton Antiporter Panhap From Pyrococcus Abyssii with Bound Thallium Ion.


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 1 of Structure of the Sodium Proton Antiporter Panhap From Pyrococcus Abyssii with Bound Thallium Ion. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl1423

b:56.3
occ:0.26
OD2 A:ASP159 2.2 68.0 1.0
OG A:SER155 2.2 64.3 1.0
O A:HOH2002 2.2 65.1 1.0
OE2 A:GLU73 2.4 68.9 1.0
CG A:ASP159 2.6 67.9 1.0
OD1 A:ASP159 2.7 76.3 1.0
O A:THR129 3.0 77.6 1.0
CD A:GLU73 3.4 62.6 1.0
CB A:SER155 3.5 73.0 1.0
O A:SER155 3.5 60.9 1.0
OE1 A:GLU73 3.6 53.9 1.0
C A:SER155 3.7 59.5 1.0
CB A:ASP159 3.8 65.0 1.0
O5 A:TAM1421 3.9 66.6 1.0
CA A:SER155 4.0 67.0 1.0
C A:THR129 4.2 76.7 1.0
OD1 A:ASP130 4.3 66.2 1.0
N A:ILE156 4.4 54.0 1.0
CA A:ASP130 4.4 70.4 1.0
CD A:PRO131 4.7 75.9 1.0
CG A:GLU73 4.7 58.5 1.0
C5 A:TAM1421 4.8 53.1 1.0
N A:ASP130 4.8 68.6 1.0
CB A:ASP130 4.8 66.0 1.0
CA A:ILE156 4.9 56.2 1.0
CA A:ASP159 5.0 62.4 1.0
CG A:ASP130 5.0 68.7 1.0

Thallium binding site 2 out of 2 in 4cza

Go back to Thallium Binding Sites List in 4cza
Thallium binding site 2 out of 2 in the Structure of the Sodium Proton Antiporter Panhap From Pyrococcus Abyssii with Bound Thallium Ion.


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 2 of Structure of the Sodium Proton Antiporter Panhap From Pyrococcus Abyssii with Bound Thallium Ion. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl1425

b:84.2
occ:0.31
OD2 B:ASP159 2.2 83.0 1.0
OG B:SER155 2.2 87.2 1.0
O B:HOH2003 2.3 80.3 1.0
OD1 B:ASP159 2.3 79.7 1.0
CG B:ASP159 2.5 79.1 1.0
O B:THR129 2.7 69.3 1.0
OE2 B:GLU73 2.7 89.0 1.0
O B:SER155 3.5 74.9 1.0
CD B:GLU73 3.5 86.6 1.0
CB B:SER155 3.5 76.2 1.0
OE1 B:GLU73 3.6 85.3 1.0
C B:SER155 3.8 76.7 1.0
CB B:ASP159 3.8 74.1 1.0
C B:THR129 3.9 78.6 1.0
CA B:SER155 4.1 76.3 1.0
CA B:ASP130 4.3 74.1 1.0
N B:ILE156 4.5 84.9 1.0
N B:ASP130 4.6 77.2 1.0
OD1 B:ASN158 4.6 76.7 1.0
OD1 B:ASP130 4.6 84.0 1.0
CB B:ASP130 4.7 76.5 1.0
CD B:PRO131 4.8 84.4 1.0
CA B:ASP159 4.8 73.1 1.0
N B:THR129 4.9 84.4 1.0
CG B:GLU73 5.0 77.4 1.0

Reference:

D.Woehlert, W.Kuhlbrandt, O.Yildiz. Structure and Substrate Ion Binding in the Sodium/Proton Antiporter Panhap Elife V. 3 2014.
ISSN: ISSN 2050-084X
PubMed: 25426802
DOI: 10.7554/ELIFE.03579
Page generated: Wed Dec 16 02:28:45 2020

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